Glycoside
GD126763
Name:
2'-O-Acetylcerleaside AFormula:
C32H46O9Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC45CCC(C6=CC(=O)OC6)C(C)(CCC43)C5=O)C2)C1OC(C)=OAglycone:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(O)CCC13C)C2=OSugarmoiety:
COC1C(O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 1 | FractionCSP3: | 0.84 |
| AlogP: | 3.89 | Num_rotatable_bonds: | 5 |
| MolWt: | 574.71 | Num_heavy_atoms: | 41 |
| TPSA: | 117.59 | NumAromaticRings: | 0 |
Unique Aglycone
AD14558
Formula: C23H32O4
Smiles:
CC12CCC3C(CCC1C1=CC(=O)OC1)(CCC1CC(O)CCC13C)C2=O| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 1 |
| MolWt: | 372.51 | Num_heavy_atoms: | 27 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
